SCHEMBL9891762

SCHEMBL9891762

CC(C)C1CCC(=O)N1c1ccc(C(F)(F)F)c(F)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 11/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LCAT P04180 1/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9893130 0.83 LCAT (0.37) HTR2AHTR2CHTR2BLCAT
SCHEMBL9891786 0.78 ACACB (0.36) IDH1NR1H3
SCHEMBL3715821 0.78 POLQ (0.38) LCAT
SCHEMBL3715822 0.78 POLQ (0.38) LCAT
SCHEMBL9891783 0.76 CNR1 (0.51) IDH1NR1H2NR1H3
SCHEMBL9892321 0.75 HDAC6 (0.52)
SCHEMBL9891779 0.74 HRH3 (0.42) IDH1
SCHEMBL9891784 0.69 NPC1 (0.42) IDH1
SCHEMBL9891756 0.69 HRH3 (0.43) IDH1NR1H2NR1H3
SCHEMBL2572806 0.69 CNR2 (0.71)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 IDH1 4245/4885HTR2A 299/4885HTR2C 231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.